SCHEMBL874844

SCHEMBL874844

CCc1ccc(C(=O)Nc2ccc(CCS(=O)(=O)C(CCn3nnc4ccccc4c3=O)C(=O)O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 5/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSD17B10 Q99714 1/20 0.45
KDM4E B2RXH2 1/20 0.45
HDAC1 Q13547 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
GPR139 Q6DWJ6 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL874644 0.94 KMT2A (0.46) KMT2AMEN1ALDH1A1L3MBTL1HSD17B10
SCHEMBL874359 0.91 GPR139 (0.46) KMT2AMEN1ALDH1A1L3MBTL1HSD17B10
SCHEMBL874657 0.90 GPR139 (0.48) KMT2AMEN1ALDH1A1L3MBTL1HSD17B10
SCHEMBL877177 0.88 GPR139 (0.49) KMT2AMEN1ALDH1A1L3MBTL1KDM4E
SCHEMBL874743 0.87 SMN1; SMN2 (0.42) KMT2AMEN1ALDH1A1L3MBTL1HSD17B10
SCHEMBL876900 0.87 GPR139 (0.44) KMT2AMEN1ALDH1A1L3MBTL1HSD17B10
SCHEMBL877387 0.86 TSHR (0.49) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL874191 0.85 ALOX15 (0.45) KMT2AMEN1ALDH1A1L3MBTL1HSD17B10
SCHEMBL877111 0.84 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1L3MBTL1HSD17B10
SCHEMBL875281 0.82 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1L3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US claimed
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2014-05-29 US disclosed
EP-2619185-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038942-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140148459-A1 MATRIX METALLOPROTEINASE INHIBITORS MMP9, MMP12, MMP10 KMT2A 3501/4885MEN1 1755/4885ALDH1A1 2281/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.